5-Indoleboronic Acid Pinacol Ester

Product Information

Molecular Formula:
C14H18NO2B
Molecular Weight:
243.11
Description
5-Indoleboronic Acid Pinacol Ester (CAS# 269410-24-4) is a useful research chemical.
Synonyms
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC=C3
InChI
InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-5-6-12-10(9-11)7-8-16-12/h5-9,16H,1-4H3
InChI Key
FATPQDPUKVVCLT-UHFFFAOYSA-N
Boiling Point
396 °C at 760 mmHg
Melting Point
120-125 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.11 g/cm3
LogP
2.46710

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
243.1430590 g/mol
Monoisotopic Mass
243.1430590 g/mol
Topological Polar Surface Area
34.2Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
316
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2022026892-A1 Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers 2020-07-31
CN-113493407-A Pyridine compound and preparation method and pharmaceutical application thereof 2020-04-03
WO-2021202977-A1 Pyrrolopyrimidine amines as complement inhibitors 2020-04-03
US-2021230153-A1 Aryl hydrocarbon receptor (ahr) agonists and uses thereof 2019-12-20
WO-2021127301-A1 4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders 2019-12-20
WO-2020142485-A1 Kinase inhibitor compounds and compositions and methods of use 2018-12-31
WO-2020142486-A1 Kinase inhibitor compounds and compositions and methods of use 2018-12-31
AU-2019418800-A1 Kinase inhibitor compounds and compositions and methods of use 2018-12-31
CA-3124700-A1 Kinase inhibitor compounds and compositions and methods of use 2018-12-31
CN-113508111-A Kinase inhibitor compounds and compositions and methods of use 2018-12-31
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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